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Thermal-FIST 1.5
Package for hadron resonance gas model applications
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ExcludedVolumeModelsMulti.cpp
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1#include "HRGRealGas/ExcludedVolumeModelsMulti.h"
2#include <cmath>
3#include <map>
4
5#include <Eigen/Dense>
6
7using namespace Eigen;
8
9namespace thermalfist {
10
11 double ExcludedVolumeModelDiagonalVDW::f(int i) const {
12 const std::vector<double>& n = m_densities;
13 double ret = 1.;
14 for (int ii = 0; ii < n.size(); ++ii)
15 ret -= m_b[ii] * n[ii];
16 return ret;
17 }
18
19 double ExcludedVolumeModelDiagonalVDW::df(int i, int j) const {
20 const std::vector<double>& n = m_densities;
21 return -m_b[j];
22 }
23
24 double ExcludedVolumeModelDiagonalVDW::dfdT(int i) const
25 {
26 const std::vector<double>& n = m_densities;
27 double ret = 0.;
28 for (int ii = 0; ii < n.size(); ++ii)
29 ret -= m_dbdT[ii] * n[ii];
30 return ret;
31 }
32
33 std::vector<double> ExcludedVolumeModelDiagonalVDW::nsol(const std::vector<double>& nid) {
34 std::vector<double> ret = nid;
35 double denom = 1.;
36 for (int ii = 0; ii < nid.size(); ++ii)
37 denom += m_b[ii] * nid[ii];
38 for (int ii = 0; ii < nid.size(); ++ii)
39 ret[ii] = nid[ii] / denom;
40 return ret;
41 }
42
43 void ExcludedVolumeModelDiagonalVDW::ComputeComponents()
44 {
45 m_components = std::vector<int>(m_N, 0);
46 m_componentsFrom = std::vector<int>();
47 std::map<std::pair<double,double>, int> MapEV;
48 m_componentsNumber = 0;
49 for (int i = 0; i < m_N; ++i) {
50 std::pair<double, double> param = std::make_pair(m_b[i], m_dbdT[i]);
51 if (MapEV.count(param) == 0) {
52 MapEV[param] = m_componentsNumber;
53 m_componentsFrom.push_back(i);
54 m_componentsNumber++;
55 }
56 m_components[i] = MapEV[param];
57 }
58 }
59
60 double ExcludedVolumeModelCrosstermsVDW::f(int i) const {
61 const std::vector<double>& n = m_densities;
62 double ret = 1.;
63 for (int j = 0; j < n.size(); ++j)
64 ret -= m_b[j][i] * n[j];
65 return ret;
66 }
67
68 double ExcludedVolumeModelCrosstermsVDW::df(int i, int j) const {
69 const std::vector<double>& n = m_densities;
70 return -m_b[j][i];
71 }
72
73 double ExcludedVolumeModelCrosstermsVDW::dfdT(int i) const {
74 const std::vector<double>& n = m_densities;
75 double ret = 0.;
76 for (int j = 0; j < n.size(); ++j)
77 ret -= m_dbdT[j][i] * n[j];
78 return ret;
79 }
80
81 std::vector<double> ExcludedVolumeModelCrosstermsVDW::nsol(const std::vector<double>& nid) {
82 std::vector<double> ret = nid;
83 int NN = nid.size();
84
85 MatrixXd densMatrix(NN, NN);
86 VectorXd solVector(NN), xVector(NN);
87
88 for (int i = 0; i < NN; ++i)
89 for (int j = 0; j < NN; ++j) {
90 densMatrix(i, j) = m_b[j][i] * nid[i];
91 if (i == j) densMatrix(i, j) += 1.;
92 }
93
94 PartialPivLU<MatrixXd> decomp(densMatrix);
95
96 for (int i = 0; i < NN; ++i) xVector[i] = nid[i];
97 solVector = decomp.solve(xVector);
98
99 for (int i = 0; i < NN; ++i) ret[i] = solVector[i];
100
101 return ret;
102 }
103
104 void ExcludedVolumeModelCrosstermsVDW::ComputeComponents()
105 {
106 m_components = std::vector<int>(m_N, 0);
107 m_componentsFrom = std::vector<int>();
108 std::map<std::vector<double>, int> MapEV;
109 m_componentsNumber = 0;
110 for (int i = 0; i < m_N; ++i) {
111 std::vector<double> param(0);
112 for (int j = 0; j < m_N; ++j)
113 param.push_back(m_b[i][j]);
114 for (int j = 0; j < m_N; ++j)
115 param.push_back(m_b[j][i]);
116 for (int j = 0; j < m_N; ++j)
117 param.push_back(m_dbdT[i][j]);
118 for (int j = 0; j < m_N; ++j)
119 param.push_back(m_dbdT[j][i]);
120
121 if (MapEV.count(param) == 0) {
122 MapEV[param] = m_componentsNumber;
123 m_componentsFrom.push_back(i);
124 m_componentsNumber++;
125 }
126 m_components[i] = MapEV[param];
127 }
128 }
129
137
138 double ExcludedVolumeModelDiagonalGeneralized::f(int i) const
139 {
140 return m_evmodelsingle->f(m_eta);
141 }
142
143 double ExcludedVolumeModelDiagonalGeneralized::df(int i, int j) const
144 {
145 return m_evmodelsingle->df(1, m_eta) * (m_b[j] / 4.);
146 }
147
148 double ExcludedVolumeModelDiagonalGeneralized::d2f(int i, int j, int k) const
149 {
150 return m_evmodelsingle->df(2, m_eta) * (m_b[j] / 4.) * (m_b[k] / 4.);
151 }
152
153 double ExcludedVolumeModelDiagonalGeneralized::d3f(int i, int j, int k, int l) const
154 {
155 return m_evmodelsingle->df(3, m_eta) * (m_b[j] / 4.) * (m_b[k] / 4.) * (m_b[l] / 4.);
156 }
157
158 double ExcludedVolumeModelDiagonalGeneralized::d4f(int i, int j, int k, int l, int m) const
159 {
160 return m_evmodelsingle->df(4, m_eta) * (m_b[j] / 4.) * (m_b[k] / 4.) * (m_b[l] / 4.) * (m_b[m] / 4.);
161 }
162
163 double ExcludedVolumeModelDiagonalGeneralized::dfdT(int i) const
164 {
165 double ret = 0.;
166 for (int i = 0; i < m_N; ++i)
167 ret += m_dbdT[i] * m_densities[i] / 4.;
168 ret *= m_evmodelsingle->df(1, m_eta);
169 return ret;
170 }
171
172 std::vector<double> ExcludedVolumeModelDiagonalGeneralized::nsol(const std::vector<double>& nid)
173 {
174 double etaid = GetEta(nid);
175 double eta = m_evmodelsingle->etasol(etaid);
176 double fval = m_evmodelsingle->f(eta);
177 std::vector<double> ret(m_N, 0.);
178 for (int i = 0; i < m_N; ++i)
179 ret[i] = fval * nid[i];
180 return ret;
181 }
182
188
189 void ExcludedVolumeModelDiagonalGeneralized::ComputeComponents()
190 {
191 m_components = std::vector<int>(m_N, 0);
192 m_componentsFrom = std::vector<int>();
193 std::map<std::pair<double, double>, int> MapEV;
194 m_componentsNumber = 0;
195 for (int i = 0; i < m_N; ++i) {
196 std::pair<double, double> param = std::make_pair(m_b[i], m_dbdT[i]);
197 if (MapEV.count(param) == 0) {
198 MapEV[param] = m_componentsNumber;
199 m_componentsFrom.push_back(i);
200 m_componentsNumber++;
201 }
202 m_components[i] = MapEV[param];
203 }
204 }
205
206 double ExcludedVolumeModelDiagonalGeneralized::GetEta(const std::vector<double>& n) const
207 {
208 double ret = 0.0;
209 for (int i = 0; i < n.size(); ++i)
210 ret += m_b[i] * n[i];
211 ret /= 4.;
212 return ret;
213 }
214
215 std::vector<double> ExcludedVolumeModelMultiBase::BroydenEquationsEVMulti::Equations(const std::vector<double>& x)
216 {
217 std::vector<double> ret(m_N, 0.);
218
219 std::vector<double> dens(m_EVM->m_N, 0.);
220 for (int i = 0; i < m_EVM->m_N; ++i) {
221 int ti = i;
222 if (m_componentsMode)
223 ti = m_EVM->ComponentIndices()[i];
224 dens[i] = x[ti] * m_ntil->operator[](i);
225 }
226 m_EVM->SetDensities(dens);
227
228 for (int i = 0; i < m_N; ++i) {
229 int fi = i;
230 if (m_componentsMode)
231 fi = m_EVM->ComponentIndicesFrom()[i];
232 ret[i] = x[i] - m_EVM->f(fi);
233 }
234
235 return ret;
236 }
237
238 std::vector<double> ExcludedVolumeModelMultiBase::BroydenJacobianEVMulti::Jacobian(const std::vector<double>& x)
239 {
240 int N = x.size();
241 std::vector<double> ret(N * N);
242
243 std::vector<double> dens(m_EVM->m_N, 0.);
244 for (int i = 0; i < m_EVM->m_N; ++i) {
245 int ti = i;
246 if (m_componentsMode)
247 ti = m_EVM->ComponentIndices()[i];
248 dens[i] = x[ti] * m_ntil->operator[](i);
249 }
250 m_EVM->SetDensities(dens);
251
252 std::vector<double> ntilcomp(N, 0.);
253 for (int i = 0; i < m_EVM->m_N; ++i) {
254 int ti = i;
255 if (m_componentsMode)
256 ti = m_EVM->ComponentIndices()[i];
257 ntilcomp[ti] = m_ntil->operator[](i);
258 }
259
260 for (int i = 0; i < N; ++i) {
261 int fi = i;
262 if (m_componentsMode)
263 fi = m_EVM->ComponentIndicesFrom()[i];
264 for (int j = 0; j < N; ++j) {
265 int fj = j;
266 if (m_componentsMode)
267 fj = m_EVM->ComponentIndicesFrom()[j];
268 ret[i * N + j] = 0.;
269 if (i == j)
270 ret[i * N + j] += 1.;
271 ret[i * N + j] += -m_EVM->df(fi, fj) * ntilcomp[j];
272 }
273 }
274
275 return ret;;
276 }
277
278 std::vector<double> ExcludedVolumeModelMultiBase::nsolBroyden(const std::vector<double>& ntil)
279 {
280 BroydenEquationsEVMulti eqs(this, &ntil);
281 BroydenJacobianEVMulti jac(this, &ntil);
282 Broyden broydn(&eqs, &jac);
283 Broyden::BroydenSolutionCriterium crit(1.0E-10);
284
285 std::vector<double> ret(m_N, 0.);
286
287 ret = broydn.Solve(ret, &crit);
288 for (int i = 0; i < m_N; ++i)
289 ret[i] *= ntil[i];
290
291 return ret;
292 }
293
294 std::vector<double> ExcludedVolumeModelMultiBase::nsolBroydenComponents(const std::vector<double>& ntil)
295 {
296 BroydenEquationsEVMulti eqs(this, &ntil, true);
297 BroydenJacobianEVMulti jac(this, &ntil, true);
298 Broyden broydn(&eqs, &jac);
299 Broyden::BroydenSolutionCriterium crit(1.0E-10);
300
301 std::vector<double> ret(m_N, 0.);
302 std::vector<double> sol(m_componentsNumber, 0.);
303
304 sol = broydn.Solve(sol, &crit);
305 for (int i = 0; i < m_N; ++i)
306 ret[i] = ntil[i] * sol[m_components[i]];
307
308 return ret;
309 }
310
311 void ExcludedVolumeModelMultiBase::ComputeComponents()
312 {
313 m_components = std::vector<int>(m_N, 0);
314 m_componentsNumber = 1;
315 m_componentsFrom = std::vector<int>(1, 0);
316 }
317
318
319 void ExcludedVolumeModelCrosstermsGeneralized::SetDensities(const std::vector<double>& n)
320 {
321 ExcludedVolumeModelMultiBase::SetDensities(n);
322 for (int i = 0; i < m_componentsNumber; ++i) {
323 m_etas[i] = GetEta(m_componentsFrom[i], m_densities);
324 }
325 //for (int i = 0; i < m_N; ++i) {
326 // m_etas[i] = GetEta(i, m_densities);
327 //}
328 }
329
330 void ExcludedVolumeModelCrosstermsGeneralized::ComputeComponents()
331 {
332 m_components = std::vector<int>(m_N, 0);
333 m_componentsFrom = std::vector<int>();
334 std::map<std::vector<double>, int> MapEV;
335 m_componentsNumber = 0;
336 for (int i = 0; i < m_N; ++i) {
337 std::vector<double> param(0);
338 for (int j = 0; j < m_N; ++j)
339 param.push_back(m_b[i][j]);
340 for (int j = 0; j < m_N; ++j)
341 param.push_back(m_b[j][i]);
342 for (int j = 0; j < m_N; ++j)
343 param.push_back(m_dbdT[i][j]);
344 for (int j = 0; j < m_N; ++j)
345 param.push_back(m_dbdT[j][i]);
346
347 if (MapEV.count(param) == 0) {
348 MapEV[param] = m_componentsNumber;
349 m_componentsFrom.push_back(i);
350 m_componentsNumber++;
351 }
352 m_components[i] = MapEV[param];
353 }
354
355 m_componentsDisconnected = true;
356 for (int i = 0; i < m_componentsNumber; ++i) {
357 for (int j = 0; j < m_componentsNumber; ++j) {
358 if (i != j) {
359 m_componentsDisconnected &= ( m_b[m_componentsFrom[i]][m_componentsFrom[j]] == 0.0);
360 m_componentsDisconnected &= (m_dbdT[m_componentsFrom[i]][m_componentsFrom[j]] == 0.0);
361 }
362 }
363 }
364
365 printf("EV Components: %d Are Disconnected: %d\n", m_componentsNumber, (int)m_componentsDisconnected);
366 }
367
368 double ExcludedVolumeModelCrosstermsGeneralized::GetEta(int i, const std::vector<double>& n) const
369 {
370 double ret = 0.0;
371 for (int j = 0; j < n.size(); ++j)
372 ret += m_b[j][i] * n[j];
373 ret /= 4.;
374 return ret;
375 }
376
384
385 double ExcludedVolumeModelCrosstermsGeneralized::f(int i) const
386 {
387 //return m_evmodelsingle->f(m_etas[i]);
388 return m_evmodelsingle->f(m_etas[ComponentIndices()[i]]);
389 }
390
391 double ExcludedVolumeModelCrosstermsGeneralized::df(int i, int j) const
392 {
393 //return m_evmodelsingle->df(1, m_etas[i]) * (m_b[j][i] / 4.);
394 return m_evmodelsingle->df(1, m_etas[ComponentIndices()[i]]) * (m_b[j][i] / 4.);
395 }
396
397 double ExcludedVolumeModelCrosstermsGeneralized::d2f(int i, int j, int k) const
398 {
399 //return m_evmodelsingle->df(2, m_etas[i]) * (m_b[j][i] / 4.) * (m_b[k][i] / 4.);
400 return m_evmodelsingle->df(2, m_etas[ComponentIndices()[i]]) * (m_b[j][i] / 4.) * (m_b[k][i] / 4.);
401 }
402
403 double ExcludedVolumeModelCrosstermsGeneralized::d3f(int i, int j, int k, int l) const
404 {
405 //return m_evmodelsingle->df(3, m_etas[i]) * (m_b[j][i] / 4.) * (m_b[k][i] / 4.) * (m_b[l][i] / 4.);
406 return m_evmodelsingle->df(3, m_etas[ComponentIndices()[i]]) * (m_b[j][i] / 4.) * (m_b[k][i] / 4.) * (m_b[l][i] / 4.);
407 }
408
409 double ExcludedVolumeModelCrosstermsGeneralized::d4f(int i, int j, int k, int l, int m) const
410 {
411 //return m_evmodelsingle->df(4, m_etas[i]) * (m_b[j][i] / 4.) * (m_b[k][i] / 4.) * (m_b[l][i] / 4.) * (m_b[m][i] / 4.);
412 return m_evmodelsingle->df(4, m_etas[ComponentIndices()[i]]) * (m_b[j][i] / 4.) * (m_b[k][i] / 4.) * (m_b[l][i] / 4.) * (m_b[m][i] / 4.);
413 }
414
415 double ExcludedVolumeModelCrosstermsGeneralized::dfdT(int i) const
416 {
417 double ret = 0.;
418 for (int j = 0; j < m_N; ++j)
419 ret += m_dbdT[j][i] * m_densities[j] / 4.;
420 //ret *= m_evmodelsingle->df(1, m_etas[i]);
421 ret *= m_evmodelsingle->df(1, m_etas[ComponentIndices()[i]]);
422 return ret;
423 }
424
425 std::vector<double> ExcludedVolumeModelCrosstermsGeneralized::nsol(const std::vector<double>& nid)
426 {
427 if (!m_componentsDisconnected) {
428 return nsolBroydenComponents(nid);
429 return nsolBroyden(nid);
430 }
431
432 // Disconnected components, use binary search separately for each component
433 std::vector<double> nids_comp(m_componentsNumber, 0.);
434 for (int i = 0; i < nid.size(); ++i)
435 nids_comp[m_components[i]] += nid[i];
436
437 std::vector<double> fvals(m_componentsNumber, 0.);
438 for (int ic = 0; ic < m_componentsNumber; ++ic) {
439 int ti = m_componentsFrom[ic];
440 double etaid = m_b[ti][ti] * nids_comp[ic] / 4.;
441 double eta = m_evmodelsingle->etasol(etaid);
442 fvals[ic] = m_evmodelsingle->f(eta);
443 }
444 std::vector<double> ret(m_N, 0.);
445 for (int i = 0; i < nid.size(); ++i) {
446 ret[i] = fvals[m_components[i]] * nid[i];
447 }
448 return ret;
449
450
451
452 //std::vector<double> etasid(m_N);
453 //for (int i = 0; i < m_N; ++i)
454 // etasid[i] = GetEta(i, nid);
455 //for (int i = 0; i < m_N; ++i) {
456 // double etaid = etasid[i];
457 // double eta = m_evmodelsingle->etasol(etaid);
458 // double fval = m_evmodelsingle->f(eta);
459 // ret[i] = fval * nid[i];
460 //}
461 //return ret;
462 }
463
464 void ExcludedVolumeModelComponents::SetDensities(const std::vector<double>& n)
465 {
466 ExcludedVolumeModelMultiBase::SetDensities(n);
467
468 for (int i = 0; i < m_densities_components.size(); ++i)
469 m_densities_components[i] = 0.;
470
471 for (int i = 0; i < n.size(); ++i)
472 m_densities_components[m_components[i]] += n[i];
473 }
474
475 void ExcludedVolumeModelComponents::ComputeComponents()
476 {
477 m_componentsFrom.resize(m_componentsNumber);
478 for (int i = m_N - 1; i >= 0; --i) {
479 m_componentsFrom[m_components[i]] = i;
480 }
481 }
482
483 ExcludedVolumeModelComponents::~ExcludedVolumeModelComponents()
484 {
485 for (int i = 0; i < m_componentsNumber; ++i) {
486 if (m_evmodels[i] != NULL) {
487 delete m_evmodels[i];
488 m_evmodels[i] = NULL;
489 }
490 }
491 }
492
493 double ExcludedVolumeModelComponents::f(int i) const
494 {
495 int tind = m_components[i];
496 double eta = m_b[tind] * m_densities_components[tind] / 4.;
497 return m_evmodels[tind]->f(eta);
498 }
499
500 double ExcludedVolumeModelComponents::df(int i, int j) const
501 {
502 bool fl = 1;
503 fl &= (m_components[i] == m_components[j]);
504 if (!fl) return 0.;
505
506 int tind = m_components[i];
507 double eta = m_b[tind] * m_densities_components[tind] / 4.;
508 return m_evmodels[tind]->df(1, eta) * (m_b[tind] / 4.);
509 }
510
511 double ExcludedVolumeModelComponents::d2f(int i, int j, int k) const
512 {
513 bool fl = 1;
514 fl &= (m_components[i] == m_components[j]);
515 fl &= (m_components[i] == m_components[k]);
516 if (!fl) return 0.;
517
518 int tind = m_components[i];
519 double eta = m_b[tind] * m_densities_components[tind] / 4.;
520 return m_evmodels[tind]->df(2, eta) * (m_b[tind] / 4.) * (m_b[tind] / 4.);
521 }
522
523 double ExcludedVolumeModelComponents::d3f(int i, int j, int k, int l) const
524 {
525 bool fl = 1;
526 fl &= (m_components[i] == m_components[j]);
527 fl &= (m_components[i] == m_components[k]);
528 fl &= (m_components[i] == m_components[l]);
529 if (!fl) return 0.;
530
531 int tind = m_components[i];
532 double eta = m_b[tind] * m_densities_components[tind] / 4.;
533 return m_evmodels[tind]->df(3, eta) * (m_b[tind] / 4.) * (m_b[tind] / 4.) * (m_b[tind] / 4.);
534 }
535
536 double ExcludedVolumeModelComponents::d4f(int i, int j, int k, int l, int m) const
537 {
538 bool fl = 1;
539 fl &= (m_components[i] == m_components[j]);
540 fl &= (m_components[i] == m_components[k]);
541 fl &= (m_components[i] == m_components[l]);
542 fl &= (m_components[i] == m_components[m]);
543 if (!fl) return 0.;
544
545 int tind = m_components[i];
546 double eta = m_b[tind] * m_densities_components[tind] / 4.;
547 return m_evmodels[tind]->df(4, eta) * (m_b[tind] / 4.) * (m_b[tind] / 4.) * (m_b[tind] / 4.) * (m_b[tind] / 4.);
548 }
549
550 double ExcludedVolumeModelComponents::dfdT(int i) const
551 {
552 int tind = m_components[i];
553 double eta = m_b[tind] * m_densities_components[tind] / 4.;
554 return m_evmodels[tind]->df(1, eta) * (m_dbdT[tind] * m_densities_components[tind] / 4.);
555 }
556
557 std::vector<double> ExcludedVolumeModelComponents::nsol(const std::vector<double>& nid)
558 {
559 std::vector<double> nids_comp(m_componentsNumber, 0.);
560 for (int i = 0; i < nid.size(); ++i)
561 nids_comp[m_components[i]] += nid[i];
562
563 std::vector<double> fvals(m_componentsNumber, 0.);
564 for (int ic = 0; ic < m_componentsNumber; ++ic) {
565 double etaid = m_b[ic] * nids_comp[ic] / 4.;
566 double eta = m_evmodels[ic]->etasol(etaid);
567 fvals[ic] = m_evmodels[ic]->f(eta);
568 }
569 std::vector<double> ret(m_N, 0.);
570 for (int i = 0; i < nid.size(); ++i) {
571 ret[i] = fvals[m_components[i]] * nid[i];
572 }
573 return ret;
574 }
575
576} // namespace thermalfist
thermalfist::Broyden::BroydenSolutionCriterium
Sub-class where it is determined whether the required accuracy is achieved in the Broyden's method.
Definition Broyden.h:144
thermalfist::BroydenEquations::m_N
int m_N
The number of equations.
Definition Broyden.h:66
thermalfist::Broyden
Class implementing the Broyden method to solve a system of non-linear equations.
Definition Broyden.h:132
thermalfist::Broyden::Solve
virtual std::vector< double > Solve(const std::vector< double > &x0, BroydenSolutionCriterium *solcrit=NULL, int max_iterations=MAX_ITERS)
Definition Broyden.cpp:83
thermalfist::ExcludedVolumeModelComponents::~ExcludedVolumeModelComponents
virtual ~ExcludedVolumeModelComponents()
Destructor for the ExcludedVolumeModelComponents class.
Definition ExcludedVolumeModelsMulti.cpp:483
thermalfist::ExcludedVolumeModelComponents::d2f
virtual double d2f(int i, int j, int k) const
Calculates the second derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:511
thermalfist::ExcludedVolumeModelComponents::d4f
virtual double d4f(int i, int j, int k, int l, int m) const
Calculates the fourth derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:536
thermalfist::ExcludedVolumeModelComponents::d3f
virtual double d3f(int i, int j, int k, int l) const
Calculates the third derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:523
thermalfist::ExcludedVolumeModelComponents::SetDensities
virtual void SetDensities(const std::vector< double > &n)
Sets the densities of particle species.
Definition ExcludedVolumeModelsMulti.cpp:464
thermalfist::ExcludedVolumeModelComponents::ComputeComponents
virtual void ComputeComponents()
Computes the components based on the excluded volume parameters.
Definition ExcludedVolumeModelsMulti.cpp:475
thermalfist::ExcludedVolumeModelComponents::dfdT
virtual double dfdT(int i) const
Calculates the temperature derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:550
thermalfist::ExcludedVolumeModelComponents::nsol
virtual std::vector< double > nsol(const std::vector< double > &nid)
Solves for the actual densities given the ideal gas densities.
Definition ExcludedVolumeModelsMulti.cpp:557
thermalfist::ExcludedVolumeModelComponents::f
virtual double f(int i) const
Calculates the suppression factor for species i.
Definition ExcludedVolumeModelsMulti.cpp:493
thermalfist::ExcludedVolumeModelComponents::m_evmodels
std::vector< ExcludedVolumeModelBase * > m_evmodels
Definition ExcludedVolumeModelsMulti.h:751
thermalfist::ExcludedVolumeModelComponents::df
virtual double df(int i, int j) const
Calculates the first derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:500
thermalfist::ExcludedVolumeModelCrosstermsGeneralized::d3f
virtual double d3f(int i, int j, int k, int l) const
Calculates the third derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:403
thermalfist::ExcludedVolumeModelCrosstermsGeneralized::d2f
virtual double d2f(int i, int j, int k) const
Calculates the second derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:397
thermalfist::ExcludedVolumeModelCrosstermsGeneralized::SetDensities
virtual void SetDensities(const std::vector< double > &n)
Sets the densities of particle species.
Definition ExcludedVolumeModelsMulti.cpp:319
thermalfist::ExcludedVolumeModelCrosstermsGeneralized::nsol
virtual std::vector< double > nsol(const std::vector< double > &nid)
Solves for the actual densities given the ideal gas densities.
Definition ExcludedVolumeModelsMulti.cpp:425
thermalfist::ExcludedVolumeModelCrosstermsGeneralized::dfdT
virtual double dfdT(int i) const
Calculates the temperature derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:415
thermalfist::ExcludedVolumeModelCrosstermsGeneralized::GetEta
double GetEta(int i, const std::vector< double > &n) const
Calculates the eta parameter for the given densities and species index.
Definition ExcludedVolumeModelsMulti.cpp:368
thermalfist::ExcludedVolumeModelCrosstermsGeneralized::df
virtual double df(int i, int j) const
Calculates the first derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:391
thermalfist::ExcludedVolumeModelCrosstermsGeneralized::d4f
virtual double d4f(int i, int j, int k, int l, int m) const
Calculates the fourth derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:409
thermalfist::ExcludedVolumeModelCrosstermsGeneralized::ComputeComponents
virtual void ComputeComponents()
Computes the components based on the excluded volume parameters.
Definition ExcludedVolumeModelsMulti.cpp:330
thermalfist::ExcludedVolumeModelCrosstermsGeneralized::f
virtual double f(int i) const
Calculates the suppression factor for species i.
Definition ExcludedVolumeModelsMulti.cpp:385
thermalfist::ExcludedVolumeModelCrosstermsGeneralized::~ExcludedVolumeModelCrosstermsGeneralized
virtual ~ExcludedVolumeModelCrosstermsGeneralized()
Destructor for the ExcludedVolumeModelCrosstermsGeneralized class.
Definition ExcludedVolumeModelsMulti.cpp:377
thermalfist::ExcludedVolumeModelCrosstermsVDW::df
virtual double df(int i, int j) const
Calculates the first derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:68
thermalfist::ExcludedVolumeModelCrosstermsVDW::ComputeComponents
virtual void ComputeComponents()
Computes the components based on the excluded volume parameters.
Definition ExcludedVolumeModelsMulti.cpp:104
thermalfist::ExcludedVolumeModelCrosstermsVDW::nsol
virtual std::vector< double > nsol(const std::vector< double > &nid)
Solves for the actual densities given the ideal gas densities.
Definition ExcludedVolumeModelsMulti.cpp:81
thermalfist::ExcludedVolumeModelCrosstermsVDW::dfdT
virtual double dfdT(int i) const
Calculates the temperature derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:73
thermalfist::ExcludedVolumeModelCrosstermsVDW::f
virtual double f(int i) const
Calculates the suppression factor for species i.
Definition ExcludedVolumeModelsMulti.cpp:60
thermalfist::ExcludedVolumeModelDiagonalGeneralized::~ExcludedVolumeModelDiagonalGeneralized
virtual ~ExcludedVolumeModelDiagonalGeneralized()
Destructor for the ExcludedVolumeModelDiagonalGeneralized class.
Definition ExcludedVolumeModelsMulti.cpp:130
thermalfist::ExcludedVolumeModelDiagonalGeneralized::f
virtual double f(int i) const
Calculates the suppression factor for species i.
Definition ExcludedVolumeModelsMulti.cpp:138
thermalfist::ExcludedVolumeModelDiagonalGeneralized::df
virtual double df(int i, int j) const
Calculates the first derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:143
thermalfist::ExcludedVolumeModelDiagonalGeneralized::d2f
virtual double d2f(int i, int j, int k) const
Calculates the second derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:148
thermalfist::ExcludedVolumeModelDiagonalGeneralized::GetEta
double GetEta(const std::vector< double > &n) const
Calculates the eta parameter for the given densities.
Definition ExcludedVolumeModelsMulti.cpp:206
thermalfist::ExcludedVolumeModelDiagonalGeneralized::dfdT
virtual double dfdT(int i) const
Calculates the temperature derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:163
thermalfist::ExcludedVolumeModelDiagonalGeneralized::ComputeComponents
virtual void ComputeComponents()
Computes the components based on the excluded volume parameters.
Definition ExcludedVolumeModelsMulti.cpp:189
thermalfist::ExcludedVolumeModelDiagonalGeneralized::nsol
virtual std::vector< double > nsol(const std::vector< double > &nid)
Solves for the actual densities given the ideal gas densities.
Definition ExcludedVolumeModelsMulti.cpp:172
thermalfist::ExcludedVolumeModelDiagonalGeneralized::d3f
virtual double d3f(int i, int j, int k, int l) const
Calculates the third derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:153
thermalfist::ExcludedVolumeModelDiagonalGeneralized::d4f
virtual double d4f(int i, int j, int k, int l, int m) const
Calculates the fourth derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:158
thermalfist::ExcludedVolumeModelDiagonalGeneralized::SetDensities
virtual void SetDensities(const std::vector< double > &n)
Sets the densities of particle species.
Definition ExcludedVolumeModelsMulti.cpp:183
thermalfist::ExcludedVolumeModelDiagonalVDW::ComputeComponents
virtual void ComputeComponents()
Computes the components based on the excluded volume parameters.
Definition ExcludedVolumeModelsMulti.cpp:43
thermalfist::ExcludedVolumeModelDiagonalVDW::f
virtual double f(int i) const
Calculates the suppression factor for species i.
Definition ExcludedVolumeModelsMulti.cpp:11
thermalfist::ExcludedVolumeModelDiagonalVDW::df
virtual double df(int i, int j) const
Calculates the first derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:19
thermalfist::ExcludedVolumeModelDiagonalVDW::dfdT
virtual double dfdT(int i) const
Calculates the temperature derivative of the suppression factor.
Definition ExcludedVolumeModelsMulti.cpp:24
thermalfist::ExcludedVolumeModelDiagonalVDW::nsol
virtual std::vector< double > nsol(const std::vector< double > &nid)
Solves for the actual densities given the ideal gas densities.
Definition ExcludedVolumeModelsMulti.cpp:33
thermalfist::ExcludedVolumeModelMultiBase::BroydenEquationsEVMulti::Equations
std::vector< double > Equations(const std::vector< double > &x)
Calculates the equations for Broyden's method.
Definition ExcludedVolumeModelsMulti.cpp:215
thermalfist::ExcludedVolumeModelMultiBase::BroydenJacobianEVMulti::Jacobian
std::vector< double > Jacobian(const std::vector< double > &x)
Calculates the Jacobian matrix for Broyden's method.
Definition ExcludedVolumeModelsMulti.cpp:238
thermalfist::ExcludedVolumeModelMultiBase::nsolBroydenComponents
virtual std::vector< double > nsolBroydenComponents(const std::vector< double > &ntil)
Solves for the actual densities using Broyden's method, considering components.
Definition ExcludedVolumeModelsMulti.cpp:294
thermalfist::ExcludedVolumeModelMultiBase::ComponentIndices
virtual const std::vector< int > & ComponentIndices() const
Gets the component indices.
Definition ExcludedVolumeModelsMulti.h:135
thermalfist::ExcludedVolumeModelMultiBase::ComputeComponents
virtual void ComputeComponents()
Computes the components based on the excluded volume parameters.
Definition ExcludedVolumeModelsMulti.cpp:311
thermalfist::ExcludedVolumeModelMultiBase::SetDensities
virtual void SetDensities(const std::vector< double > &n)
Sets the densities of particle species.
Definition ExcludedVolumeModelsMulti.h:128
thermalfist::ExcludedVolumeModelMultiBase::nsolBroyden
virtual std::vector< double > nsolBroyden(const std::vector< double > &ntil)
Solves for the actual densities using Broyden's method.
Definition ExcludedVolumeModelsMulti.cpp:278
thermalfist
The main namespace where all classes and functions of the Thermal-FIST library reside.
Definition CosmicEoS.h:9
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